| CAS Number | 1142924-89-7 |
| Catalog Number | AG000B0A(AGN-PC-0WCJKM) |
| Chemical Name | 1-(1,1-difluoroethyl)-4-iodobenzene |
| IUPAC Name | 1-(1,1-difluoroethyl)-4-iodobenzene |
| InChI | InChI=1S/C8H7F2I/c1-8(9,10)6-2-4-7(11)5-3-6/h2-5H,1H3 |
| InChI Key | FBCXCVLCLGLRNO-UHFFFAOYSA-N |
| MDL Number | MFCD26728332 |
| Molecular Formula | C8H7F2I |
| Molecular Weight | 268.0425 |
| SMILES | CC(C1=CC=C(I)C=C1)(F)F |
| Synonyms | 1-(1,1-difluoroethyl)-4-iodobenzene,
1142924-89-7,
1-Iodo-4-(1,1-difluoroethyl)benzene,
SCHEMBL663449,
FBCXCVLCLGLRNO-UHFFFAOYSA-N,
ZINC107268902,
1-(1,1-Difluoro-ethyl)-4-iodo-benzene,
Benzene,1-(1,1-difluoroethyl)-4-iodo-,
Benzene, 1-(1,1-difluoroethyl)-4-iodo-,
CS-0068802,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.956g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.045g/mol |
| Monoisotopic Mass | 267.956g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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